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	hartrees
Energy at 0K	-2569.568160
Energy at 298.15K
HF Energy	-2569.568160
Nuclear repulsion energy	25.670881

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.994
Br2	0.000	0.000	0.171

	Li1	Br2
Li1		2.1645
Br2	2.1645

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.460
2	Br	-0.460

	x	y	z	Total
	0.000	0.000	-6.523	6.523
CHELPG
AIM
ESP

All results from a given calculation for LiBr (Lithium Bromide)

using model chemistry: B3PW91/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	23.445
(<r²>)^1/2	4.842